MMsINC Database Search


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MMsINC code: MMs01067673

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)Cc2c3c([nH]c2)cccc3)cc1

InChI:

InChI=1/C23H20N2O2/c26-23(14-18-15-24-22-9-5-4-8-21(18)22)25-19-10-12-20(13-11-19)27-16-17-6-2-1-3-7-17/h1-13,15,24H,14,16H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6948 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.52452	SlogP: 5.19447	Reactive groups: 0

Topological Properties
Globularity: 0.0534586	Sterimol/B1: 3.26772	Sterimol/B2: 3.72721	Sterimol/B3: 4.79062
Sterimol/B4: 5.58184	Sterimol/L: 20.0946

Surface and Volume Properties
Accessible surface: 668.852	Positive charged surface: 389.061	Negative charged surface: 276.208	Volume: 356.5
Hydrophobic surface: 577.562	Hydrophilic surface: 91.29

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.